SCHEMBL5884731

SCHEMBL5884731

CC(C)ON=Cc1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
BPTF Q12830 1/20 0.36
PANK3 Q9H999 5/20 0.36
CYP1A2 P05177 1/20 0.35
ACACB O00763 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5884268 0.89 MEN1 (0.43) MEN1KMT2ASMN1; SMN2GPR119LMNA
SCHEMBL5884253 0.88 KMT2A (0.40) MEN1KMT2ASMN1; SMN2GPR119LMNA
SCHEMBL5883827 0.88 KMT2A (0.40) MEN1KMT2ASMN1; SMN2GPR119LMNA
SCHEMBL5884130 0.87 KMT2A (0.39) MEN1KMT2ASMN1; SMN2GPR119LMNA
SCHEMBL5884759 0.85 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5885056 0.84 LMNA (0.36) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884258 0.84 LMNA (0.36) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884554 0.83 MEN1 (0.39) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884564 0.83 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL7492587 0.82 LMNA (0.45) MEN1KMT2ASMN1; SMN2GPR119LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed